SCHEMBL5601606

SCHEMBL5601606

CCCc1ccc(-n2cccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.57
ELOC Q15369 1/20 0.57
ELOB Q15370 1/20 0.57
POLB P06746 4/20 0.50
NSD2 O96028 1/20 0.50
GRK2 P25098 1/20 0.50
CASP6 P55212 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
MGLL Q99685 1/20 0.50
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
AOC2 O75106 3/20 0.44
CHRNA7 P36544 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5602418 0.88 VHL (0.53) VHLELOCELOBPOLBNSD2
SCHEMBL5603532 0.86 MGLL (0.53) VHLELOCELOBPOLBNSD2
SCHEMBL5601078 0.84 MGLL (0.56) VHLELOCELOBMGLLKDM4E
SCHEMBL5603565 0.82 VHL (0.61) VHLELOCELOBPOLBNSD2
SCHEMBL27531306 0.78 VHL (0.57) VHLELOCELOBPOLBNSD2
SCHEMBL8797478 0.78 VHL (0.57) VHLELOCELOBPOLBNSD2
SCHEMBL27757920 0.78 VHL (0.57) VHLELOCELOBPOLBNSD2
SCHEMBL321086 0.78 AOC2 (0.49) VHLELOCELOBGRK2CASP6
Hydrochloric Acid SCHEMBL21382427 0.77 VHL (0.55) VHLELOCELOBPOLBNSD2
SCHEMBL20319186 0.77 VHL (0.67) VHLELOCELOBPOLBNSD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 US disclosed
US-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
US-20120129189-A1 Methods of Controlling Cell Proliferation THE J. DAVID GLADSTONE INSTITUTES 2012-05-24 US disclosed
US-8115005-B2 Pyrazolylphenyl and pyrrolylphenyl inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF. (IS) 2012-02-14 US disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
US-20080033013-A1 PYRAZOLYLPHENYL AND PYRROLYLPHENYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 US disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE BACE1, BACE2, PSEN1 VHL 3470/4885ELOC 2523/4885ELOB 1067/4885
US-20080033013-A1 PYRAZOLYLPHENYL AND PYRROLYLPHENYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTB4R2, LTC4S, LTA4H VHL 3986/4885ELOC 1800/4885ELOB 1914/4885
US-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules TBL2, TBL3, TBL1XR1 VHL 684/4885ELOC 1498/4885ELOB 304/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.